Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.0550    2.2266    2.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190    1.1361    1.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7149   -0.0469    1.9686 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6109   -0.4882    1.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0102   -1.6456    1.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1161   -2.1370    1.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6274   -1.4716   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0217   -0.3160   -0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    0.1516    0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5641    0.4105   -1.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5040    3.1496    1.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4118    2.2473    3.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9453    1.0740    0.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3886   -2.1874    2.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5667   -3.0617    1.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070   -1.8864   -0.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5846    1.0724   -0.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1160   -0.3074   -2.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3096    1.1948   -1.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.8853   -2.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers